Geometry & MOs

Info

ID:	167225
PubChem CID:	74795849
Reduced:	ClFO2N4H20C21 (1)
Stoich.:	ABC2D4E20F21 (1)
Weight, g/mol:	414.125882
ΔH_f, kcal/mol:	-51.86
Dipole, Da:	5.08
IP(EA), eV:	-9.16(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-chlorophenyl)-1-[(4-fluorophenyl)methyl]-7-propan-2-yl-4,5-dihydropurine-2,6-dione

Drug info:

PubChemData

Smile

CCCN1C=NC2C1C(=O)N(C(=O)N2C3=CC=C(C=C3)Cl)CC4=CC=C(C=C4)F

DOS

IR

Vibrations